Geometry & MOs

Info

ID:

101098

PubChem CID:

50064355

Reduced:

ClO4F5N5H33C34 (1)

Stoich.:

AB4C5D5E33F34 (1)

Weight, g/mol:

633.276276

ΔHf, kcal/mol:

-378.18

Dipole, Da:

8.37

IP(EA), eV:

 -9.01(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(F)(F)F)Cl

DOS

IR

Vibrations